1-(2,2-dimethyloxan-3-yl)propan-2-one

C10H18O2 — CID 14027507

IUPAC1-(2,2-dimethyloxan-3-yl)propan-2-one
SMILESCC(=O)CC1CCCOC1(C)C
InChIInChI=1S/C10H18O2/c1-8(11)7-9-5-4-6-12-10(9,2)3/h9H,4-7H2,1-3H3
InChIKeyGFQOLEWJVMAIDZ-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.17
Rot. Bonds2

About 1-(2,2-dimethyloxan-3-yl)propan-2-one

1-(2,2-dimethyloxan-3-yl)propan-2-one (PubChem CID 14027507) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-(2,2-dimethyloxan-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(2,2-dimethyloxan-3-yl)propan-2-one
PubChem CID14027507
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-(2,2-dimethyloxan-3-yl)propan-2-one
SMILESCC(=O)CC1CCCOC1(C)C
InChIInChI=1S/C10H18O2/c1-8(11)7-9-5-4-6-12-10(9,2)3/h9H,4-7H2,1-3H3
InChIKeyGFQOLEWJVMAIDZ-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]propan-2-one
CID 15006382
trans-(1R,2R)-1-methyl-2-(2-oxopropyl)cyclohexane-1-carbaldehyde
CID 131122718
1-[(2R)-oxolan-2-yl]propan-2-one
CID 12812293
(2,2-dimethyloxan-3-yl) acetate
CID 155712609
1-[7a-(iodomethyl)-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran-7-yl]propan-2-one
CID 174871350
1-(5-oxaspiro[2.3]hexan-2-yl)propan-2-one
CID 84648509
1-cyclohexadecylpropan-2-one
CID 175123721
1-(1,3-dioxan-2-yl)propan-2-one
CID 12688984
(3aS,7R,7aS)-7a-(iodomethyl)-7-(2-oxopropyl)-3,3a,4,5,6,7-hexahydro-1-benzofuran-2-one
CID 146233693
1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one
CID 79894719
2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid
CID 98041281
2,2-dimethyloxolan-3-amine
CID 59657974

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyloxan-3-yl)propan-2-one?
The IUPAC name of 1-(2,2-dimethyloxan-3-yl)propan-2-one (CID 14027507) is 1-(2,2-dimethyloxan-3-yl)propan-2-one.
What is the SMILES notation for 1-(2,2-dimethyloxan-3-yl)propan-2-one?
The canonical SMILES for 1-(2,2-dimethyloxan-3-yl)propan-2-one is CC(=O)CC1CCCOC1(C)C.
What is the InChIKey of 1-(2,2-dimethyloxan-3-yl)propan-2-one?
The InChIKey is GFQOLEWJVMAIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(11)7-9-5-4-6-12-10(9,2)3/h9H,4-7H2,1-3H3.
What are the key properties of 1-(2,2-dimethyloxan-3-yl)propan-2-one?
1-(2,2-dimethyloxan-3-yl)propan-2-one has a molecular weight of 170.25 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloxan-3-yl)propan-2-one is sourced from PubChem (CID 14027507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).